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CHEBI:75671 - (+)-gallocatechin-(4α→6)-(+)-catechin
| Formula | C30H26O13 |
| Net Charge | 0 |
| Average Mass | 594.525 |
| Monoisotopic Mass | 594.13734 |
| SMILES | Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc2c(c1O)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O2 |
| InChI | InChI=1S/C30H26O13/c31-12-6-16(34)23-22(7-12)43-30(11-4-18(36)27(40)19(37)5-11)28(41)25(23)24-17(35)9-21-13(26(24)39)8-20(38)29(42-21)10-1-2-14(32)15(33)3-10/h1-7,9,20,25,28-41H,8H2/t20-,25-,28-,29+,30+/m0/s1 |
| InChIKey | SNJZSALXDDQVRR-UJQPEBFZSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) has functional parent (+)-catechin (CHEBI:15600) |
| (+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) has functional parent (+)-gallocatechin (CHEBI:31018) |
| (+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) has role metabolite (CHEBI:25212) |
| (+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) is a biflavonoid (CHEBI:50128) |
| (+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) is a hydroxyflavan (CHEBI:72010) |
| (+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) is a polyphenol (CHEBI:26195) |
| (+)-gallocatechin-(4α→6)-(+)-catechin (CHEBI:75671) is a proanthocyanidin (CHEBI:26267) |
| IUPAC Name |
|---|
| (2R,2'R,3S,3'S,4R)-2'-(3,4-dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromene-3,3',5,5',7,7'-hexol |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6557581 | Reaxys |